2-(4-methylphenyl)pyrimido[2,1-b][1,3]benzoxazol-5-ium iodide

Systemtic Name: 2-(4-methylphenyl)pyrimido[2,1-b][1,3]benzoxazol-5-ium iodide Openeye Name: 2-(p-tolyl)pyrimido[2,1-b][1,3]benzoxazol-5-ium iodide CAS Name: 2-(4-methylphenyl)pyrimido[2,1-b][1,3]benzoxazol-5-ium iodide IUPAC Name: 2-(4-methylphenyl)pyrimido[2,1-b][1,3]benzoxazol-5-ium iodide Traditional Name: 2-(p-tolyl)pyrimido[2,1-b][1,3]benzoxazol-5-ium iodide Formula: C17H13IN2O MolecularWeight: 388.20239

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=[N+](C=C2)C4=CC=CC=C4O3.[I-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=[N+](C=C2)C4=CC=CC=C4O3.[I-]

InChI

InChI=1S/C17H13N2O.HI/c1-12-6-8-13(9-7-12)14-10-11-19-15-4-2-3-5-16(15)20-17(19)18-14;/h2-11H,1H3;1H/q+1;/p-1